SCHEMBL4388973

SCHEMBL4388973

CC1CCCN1CC1CCN(C(NCCN2CCCCC2)=C(C#N)C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4381873 0.91 HRH3 (0.44) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL4382192 0.91 HRH3 (0.44) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL4381878 0.91 HRH3 (0.44) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL4391499 0.91 HRH3 (0.41) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL4394511 0.91 HRH3 (0.41) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL4391508 0.91 HRH3 (0.41) HRH3MEN1KMT2ATSHRALDH1A1
SCHEMBL4396981 0.87 HRH3 (0.43) HRH3TSHRALDH1A1NPC1MAPT
SCHEMBL4384502 0.87 HRH3 (0.40) HRH3TSHRALDH1A1NPC1
SCHEMBL4384271 0.86 CHRM5 (0.40) TSHRCA12CA1CA2CA9
SCHEMBL4389771 0.79 RAD52 (0.38) HRH3MEN1KMT2ATSHRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885MEN1 3396/4885KMT2A 441/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.